nitro (2E)-4-octylsulfanyl-2-(1,3-thiazinan-2-ylidene)butanoate

Systemtic Name: nitro (2E)-4-octylsulfanyl-2-(1,3-thiazinan-2-ylidene)butanoate Openeye Name: nitro (2E)-4-octylsulfanyl-2-(1,3-thiazinan-2-ylidene)butanoate CAS Name: (2E)-4-(octylthio)-2-(1,3-thiazinan-2-ylidene)butanoic acid nitro ester IUPAC Name: nitro (2E)-4-octylsulfanyl-2-(1,3-thiazinan-2-ylidene)butanoate Traditional Name: (2E)-4-(octylthio)-2-(1,3-thiazinan-2-ylidene)butyric acid nitro ester Formula: C16H28N2O4S2 MolecularWeight: 376.53452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCC(=C1NCCCS1)C(=O)O[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCSCC/C(=C\1/NCCCS1)/C(=O)O[N+](=O)[O-]

InChI

InChI=1S/C16H28N2O4S2/c1-2-3-4-5-6-7-11-23-13-9-14(16(19)22-18(20)21)15-17-10-8-12-24-15/h17H,2-13H2,1H3/b15-14+